[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate

C13H17NO4 — CID 70487174

IUPAC[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)NC(C)CO)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-9(8-15)14-13(17)12(18-10(2)16)11-6-4-3-5-7-11/h3-7,9,12,15H,8H2,1-2H3,(H,14,17)
InChIKeyONGYRGRHFBKYRK-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.79
Rot. Bonds5

About [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate

[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate (PubChem CID 70487174) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate
PubChem CID70487174
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)NC(C)CO)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-9(8-15)14-13(17)12(18-10(2)16)11-6-4-3-5-7-11/h3-7,9,12,15H,8H2,1-2H3,(H,14,17)
InChIKeyONGYRGRHFBKYRK-UHFFFAOYSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 97241364
N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864
[2-[[methoxy(phenyl)methyl]amino]-2-oxo-1-phenylethyl] acetate
CID 14186661
[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate
CID 24834441
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 96564952
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate (CID 70487174) is [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)NC(C)CO)c1ccccc1.
What is the InChIKey of [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate?
The InChIKey is ONGYRGRHFBKYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(8-15)14-13(17)12(18-10(2)16)11-6-4-3-5-7-11/h3-7,9,12,15H,8H2,1-2H3,(H,14,17).
What are the key properties of [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate?
[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate has a molecular weight of 251.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 70487174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).